[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (3S)-1-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (3S)-1-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (3S)-1-(1,3-benzodioxol-5-ylmethyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (3S)-1-(1,3-benzodioxol-5-ylmethyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-piperonyl-pyrrolidine-3-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H18BrNO6 MolecularWeight: 460.27472

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC3=C(C=C2)OCO3)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1[C@@H](CN(C1=O)CC2=CC3=C(C=C2)OCO3)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrNO6/c22-16-4-2-14(3-5-16)17(24)11-27-21(26)15-8-20(25)23(10-15)9-13-1-6-18-19(7-13)29-12-28-18/h1-7,15H,8-12H2/t15-/m0/s1